Glycoside
GD003155
Name:
NoneFormula:
C19H24O6N4Smiles:
COc1cc(C=CCNC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)ccc1OAglycone:
CNCC=Cc1ccc(O)c(OC)c1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 152.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00217
Formula: C11H15O2N
Smiles:
CNCC=Cc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 193.25 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
